1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

C13H23Cl2N3OS — CID 119886464

IUPAC1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)C2(N)CCCC2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-11-16-10(8-18-11)9(2)15-12(17)13(14)6-4-5-7-13;;/h8-9H,3-7,14H2,1-2H3,(H,15,17);2*1H
InChIKeyBRMHFWHVOAMREM-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.00
Rot. Bonds4

About 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119886464) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119886464
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC Name1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)C2(N)CCCC2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-11-16-10(8-18-11)9(2)15-12(17)13(14)6-4-5-7-13;;/h8-9H,3-7,14H2,1-2H3,(H,15,17);2*1H
InChIKeyBRMHFWHVOAMREM-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119886464) is 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is CCc1nc(C(C)NC(=O)C2(N)CCCC2)cs1.Cl.Cl.
What is the InChIKey of 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is BRMHFWHVOAMREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-3-11-16-10(8-18-11)9(2)15-12(17)13(14)6-4-5-7-13;;/h8-9H,3-7,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119886464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).